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Book Categories |
| Preface | ||
| 1 | An Outline of What Computational Chemistry is All About | 1 |
| 2 | The Concept of the Potential Energy Surface | 9 |
| 3 | Molecular Mechanics | 43 |
| 4 | Introduction to Quantum Mechanics in Computational Chemistry | 81 |
| 5 | Ab initio calculations | 159 |
| 6 | Semiempirical Calculations | 339 |
| 7 | Density Functional Calculations | 385 |
| 8 | Literature, Software, Books, and Websites | 447 |
| Index | 463 |
| Price | Condition | Delivery | Seller | Action |
| $104.00 | Digital |
| WonderClub |
Denise Sandow
reviewed Computational Chemistry on July 15, 2014
Computational Chemistry
A great introduction into the world of quantum chemistry. It really demystified the methods and logic behind the computation processes for molecules and molecular complexes. However, computational chemistry in its foundation is not an easy subject, as one has to know quite a bit of quantum mechanics and atomic and molecular physics to be able to properly read and digest this book, but all in all, I warmly recommend it.
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